Journal
JOURNAL OF PHYSICS D-APPLIED PHYSICS
Volume 53, Issue 12, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1361-6463/ab6057
Keywords
van der Waals heterostructures; 2D magnetic materials; spin-valley coupling; strain engineering
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Funding
- National Key Research and Development Program of China [2018YFB0406603]
- National Natural Science Foundations of China [61874092, 61674124, 61774128, 61804129]
- Natural Science Foundation of Fujian Province of China [2018I0017, 2017J01012]
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We perform a systematic investigation of MnPSe3/CrBr3 two-dimensional (2D) van der Waals heterostructures through first-principles calculations. The most stable stacking configuration of MnPSe3/CrBr3 heterostructures is found to have an indirect type-II band structure. Biaxial tensile strain is employed to tailor the spin-valley properties of the heterostructures in terms of the momentum, energy and spin components of the valleys. A novel opposite spin splitting evolution appears at the K and K ' valleys of the top valance band (TVB) with increasing tensile strain. A change from an indirect to a direct band gap is found at 7% tensile strain. A maximum spin splitting of 34.7 meV at the K ' valley is produced simultaneously with valley polarization under a tensile strain of 10%. The spin components distributed at the TVB are found to be controlled by strain-related competition between direct exchange interaction and indirect superexchange interaction of Se (p(x) + p(y) ) and Se p(z) orbitals. Spin polarization precisely regulated by strain can facilitate the manipulation of valley and spin degrees of freedom in MnPSe3/CrBr3 heterostructures, which opens up great potential for novel applications, such as strained sensor, spintronic and valleytronic devices.
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